ChemDiv1_017805
TL;DR: ChemDiv1_017805 (CAS 330557-27-2) is a chemical compound with molecular formula C15H14N4O3S and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanophenyl)-2-[(5-ethyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_017805, BAS 01521789, A1835/0077307, N-(2-cyanophenyl)-2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamide, N-(2-cyanophenyl)-2-((5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acetamide
| Molecular Formula | C15H14N4O3S |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 1.26858 |
| Topological Polar Surface Area | 111.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.07867 |
| Heavy Atoms | 23 |
| Complexity | 723.6773 |
Chemical Identifiers
| CAS Number | 330557-27-2 |
|---|---|
| SMILES | CCC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=CC=C2C#N |
Product Overview
ChemDiv1_017805 (CAS 330557-27-2), with molecular formula C15H14N4O3S and molecular weight 330.08 g/mol. IUPAC: N-(2-cyanophenyl)-2-[(5-ethyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_017805
Property Insights of ChemDiv1_017805
The XLogP value of 1.26858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_017805. The TPSA of 111.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017805. Following Lipinski's Rule of Five, ChemDiv1_017805 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_017805?
The CAS number of ChemDiv1_017805 is 330557-27-2.
What is the molecular formula of ChemDiv1_017805?
The molecular formula of ChemDiv1_017805 is C15H14N4O3S.
What is the molecular weight of ChemDiv1_017805?
The molecular weight of ChemDiv1_017805 is 330.08 g/mol.
Where can I buy ChemDiv1_017805?
You can request a quote for ChemDiv1_017805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017805?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.